CAS RN: 99-14-9
1,2,3-Propanetricarboxylic Acid
Product Availability
Choose a grade to view its available package options.
12 package records12 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250701 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20250825 | 10g | In stock | Shanghai, Wuhan, Chengdu | Inquiry |
| Batchno.20250219 | 1kg | In stock | Shanghai | Inquiry |
| Batchno.20250412 | 25g | In stock | Shanghai, Shenzhen, Wuhan, Chengdu | Inquiry |
| Batchno.20250503 | 500g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250422 | 5g | In stock | Shanghai, Tianjin | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260102 | 1g / 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong, Guangdong, Chongqing, Hebei | Inquiry |
- Product code: SSC-212916
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g, 10g, 25g, 100g
- Available purity: ≥98%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
99-14-9 / propane-1,2,3-tricarboxylic acid
Basic Information
CAS
99-14-9
Multi CAS
Yes
Molecular Formula
C6H8O6
Molecular Weight
176.120000
Exact Mass
176.032088
InChI
InChI=1S/C6H8O6/c7-4(8)1-3(6(11)12)2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKey
KQTIIICEAUMSDG-UHFFFAOYSA-N
Physical Properties
Melting Point
166 °C
Physical Description
Solid; [Merck Index] Crystalline solid;
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
35.63
TPSA
111.9
LogP / Solubility
WLOGP
-0.36
MLOGP
-0.32
XLogP3
-1.2
Consensus LogP
-0.63
Log S (ESOL)
-0.37
Class (ESOL)
Very soluble
Log S (Ali)
-0.74
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.1
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
